1,3-dichloro-2-[[[(2,6-dichlorophenyl)-phenylmethyl]-(2,5-dimethylphenyl)phosphoryl]-phenylmethyl]benzene

C34H27Cl4OP — CID 152728303

IUPAC1,3-dichloro-2-[[[(2,6-dichlorophenyl)-phenylmethyl]-(2,5-dimethylphenyl)phosphoryl]-phenylmethyl]benzene
SMILESCc1ccc(C)c(P(=O)(C(c2ccccc2)c2c(Cl)cccc2Cl)C(c2ccccc2)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C34H27Cl4OP/c1-22-19-20-23(2)30(21-22)40(39,33(24-11-5-3-6-12-24)31-26(35)15-9-16-27(31)36)34(25-13-7-4-8-14-25)32-28(37)17-10-18-29(32)38/h3-21,33-34H,1-2H3
InChIKeyZXBLJCIVKUDFEI-UHFFFAOYSA-N
MW624.38 g/mol
LogP11.48
Rot. Bonds7

About 1,3-dichloro-2-[[[(2,6-dichlorophenyl)-phenylmethyl]-(2,5-dimethylphenyl)phosphoryl]-phenylmethyl]benzene

1,3-dichloro-2-[[[(2,6-dichlorophenyl)-phenylmethyl]-(2,5-dimethylphenyl)phosphoryl]-phenylmethyl]benzene (PubChem CID 152728303) has the molecular formula C34H27Cl4OP and a molecular weight of 624.38 g/mol. Its IUPAC name is 1,3-dichloro-2-[[[(2,6-dichlorophenyl)-phenylmethyl]-(2,5-dimethylphenyl)phosphoryl]-phenylmethyl]benzene.

Molecular Properties

Compound Name1,3-dichloro-2-[[[(2,6-dichlorophenyl)-phenylmethyl]-(2,5-dimethylphenyl)phosphoryl]-phenylmethyl]benzene
PubChem CID152728303
Molecular FormulaC34H27Cl4OP
Molecular Weight624.38 g/mol
Exact Mass622.06
IUPAC Name1,3-dichloro-2-[[[(2,6-dichlorophenyl)-phenylmethyl]-(2,5-dimethylphenyl)phosphoryl]-phenylmethyl]benzene
SMILESCc1ccc(C)c(P(=O)(C(c2ccccc2)c2c(Cl)cccc2Cl)C(c2ccccc2)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C34H27Cl4OP/c1-22-19-20-23(2)30(21-22)40(39,33(24-11-5-3-6-12-24)31-26(35)15-9-16-27(31)36)34(25-13-7-4-8-14-25)32-28(37)17-10-18-29(32)38/h3-21,33-34H,1-2H3
InChIKeyZXBLJCIVKUDFEI-UHFFFAOYSA-N
XLogP11.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.38
LogP ≤ 511.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[[(2,4-dibutoxyphenyl)-[phenyl-(2,4,6-trimethylphenyl)methyl]phosphoryl]-phenylmethyl]-1,3,5-trimethylbenzene
CID 150223041
1-bis(4-methylphenyl)phosphoryl-2-chloro-4-methylbenzene
CID 143956101
1,3-dichloro-2-(2,5-dimethylphenyl)benzene
CID 66641397
4-[(2,6-dichlorophenyl)-(3,4,5-trimethylphenyl)methyl]-2,6-dimethylaniline
CID 147613699
2-(2-chloroanilino)-2-(2,4-dimethylphenyl)acetic acid
CID 60991251
2,5-dimethyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 100743905
2-(2-chloro-5-methylanilino)-2-phenylacetic acid
CID 107636535
(2R)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 9307161
2-[bromo(phenyl)methyl]-1,3-dichlorobenzene
CID 63437122
2-chloro-4-methyl-1-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene
CID 164993906
2-(2-chloro-1-phenylethyl)-1,4-dimethylbenzene
CID 66436960
(2,6-dichlorophenyl)-(3,4-dimethylphenyl)methanamine
CID 43149184

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-[[[(2,6-dichlorophenyl)-phenylmethyl]-(2,5-dimethylphenyl)phosphoryl]-phenylmethyl]benzene?
The IUPAC name of 1,3-dichloro-2-[[[(2,6-dichlorophenyl)-phenylmethyl]-(2,5-dimethylphenyl)phosphoryl]-phenylmethyl]benzene (CID 152728303) is 1,3-dichloro-2-[[[(2,6-dichlorophenyl)-phenylmethyl]-(2,5-dimethylphenyl)phosphoryl]-phenylmethyl]benzene.
What is the SMILES notation for 1,3-dichloro-2-[[[(2,6-dichlorophenyl)-phenylmethyl]-(2,5-dimethylphenyl)phosphoryl]-phenylmethyl]benzene?
The canonical SMILES for 1,3-dichloro-2-[[[(2,6-dichlorophenyl)-phenylmethyl]-(2,5-dimethylphenyl)phosphoryl]-phenylmethyl]benzene is Cc1ccc(C)c(P(=O)(C(c2ccccc2)c2c(Cl)cccc2Cl)C(c2ccccc2)c2c(Cl)cccc2Cl)c1.
What is the InChIKey of 1,3-dichloro-2-[[[(2,6-dichlorophenyl)-phenylmethyl]-(2,5-dimethylphenyl)phosphoryl]-phenylmethyl]benzene?
The InChIKey is ZXBLJCIVKUDFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27Cl4OP/c1-22-19-20-23(2)30(21-22)40(39,33(24-11-5-3-6-12-24)31-26(35)15-9-16-27(31)36)34(25-13-7-4-8-14-25)32-28(37)17-10-18-29(32)38/h3-21,33-34H,1-2H3.
What are the key properties of 1,3-dichloro-2-[[[(2,6-dichlorophenyl)-phenylmethyl]-(2,5-dimethylphenyl)phosphoryl]-phenylmethyl]benzene?
1,3-dichloro-2-[[[(2,6-dichlorophenyl)-phenylmethyl]-(2,5-dimethylphenyl)phosphoryl]-phenylmethyl]benzene has a molecular weight of 624.38 g/mol, XLogP of 11.48, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-[[[(2,6-dichlorophenyl)-phenylmethyl]-(2,5-dimethylphenyl)phosphoryl]-phenylmethyl]benzene is sourced from PubChem (CID 152728303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).